TDR Targets

Basic information

Technical information

TDR Targets ID: 209506
Name: 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-meth ylpyrimidin-4-amine
MW: 283.156 | Formula: C12H12Cl2N4
H donors: 2 H acceptors: 2 LogP: 2.58 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NCc1c(N)nc(nc1c1ccc(cc1Cl)Cl)C
InChi: 1S/C12H12Cl2N4/c1-6-17-11(9(5-15)12(16)18-6)8-3-2-7(13)4-10(8)14/h2-4H,5,15H2,1H3,(H2,16,17,18)
InChiKey: SGJHOQOKDASCIO-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methyl-pyrimidin-4-amine
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methyl-4-pyrimidinamine
[4-amino-6-(2,4-dichlorophenyl)-2-methyl-pyrimidin-5-yl]methylamine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0092	0.1061	0.106
Onchocerca volvulus		0.0029	0.0254	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0215	0.2617	0.3923
Schistosoma mansoni	cpg binding protein	0.003	0.0269	0.0032
Onchocerca volvulus		0.0101	0.1166	0.143
Onchocerca volvulus		0.0029	0.0254	0.0008
Onchocerca volvulus		0.0029	0.0254	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Brugia malayi	Cadherin domain containing protein	0.0092	0.1061	0.1591
Echinococcus granulosus	cpg binding protein	0.003	0.0269	0.1023
Echinococcus granulosus	fibropellin Ia	0.0092	0.1061	0.405
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Brugia malayi	EGF-like domain containing protein	0.0092	0.1061	0.1591
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Echinococcus multilocularis	Mastin	0.0177	0.2136	0.2135
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1166	0.1747
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0101	0.1166	0.143
Mycobacterium ulcerans	hypothetical protein	0.0101	0.1166	0.5
Onchocerca volvulus		0.0101	0.1166	0.143
Echinococcus multilocularis	laminin	0.0215	0.2617	0.2616
Echinococcus multilocularis	enteropeptidase	0.0177	0.2136	0.2135
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0254	0.0379
Echinococcus multilocularis	protein jagged 1	0.0092	0.1061	0.106
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Echinococcus granulosus	neurogenic locus protein delta	0.0092	0.1061	0.405
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Onchocerca volvulus		0.0132	0.1568	0.2055
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0215	0.2617	0.3689
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0092	0.1061	0.1265
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Echinococcus granulosus	Mastin	0.0177	0.2136	0.816
Giardia lamblia	High cysteine protein	0.0092	0.1061	0.5
Onchocerca volvulus		0.0029	0.0254	0.0008
Echinococcus multilocularis	neurogenic locus notch protein	0.0092	0.1061	0.106
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Onchocerca volvulus		0.0092	0.1061	0.1265
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0177	0.2136	0.294
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0101	0.1166	0.1165
Brugia malayi	Calcium binding EGF domain containing protein	0.0092	0.1061	0.1591
Onchocerca volvulus		0.0092	0.1061	0.1265
Plasmodium falciparum	cysteine repeat modular protein 1	0.0132	0.1568	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0254	0.0379
Onchocerca volvulus		0.0029	0.0254	0.0008
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0101	0.1166	0.4454
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Onchocerca volvulus	Slit protein homolog	0.0092	0.1061	0.1265
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0092	0.1061	0.106
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Loa Loa (eye worm)	Notch2	0.0092	0.1061	0.1589
Schistosoma mansoni	hypothetical protein	0.0132	0.1568	0.2055
Echinococcus multilocularis	cpg binding protein	0.003	0.0269	0.0268
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0132	0.1568	0.5
Echinococcus multilocularis	transmembrane protease serine 3	0.0101	0.1166	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Echinococcus granulosus	neurogenic locus notch protein	0.0092	0.1061	0.405
Echinococcus granulosus	transmembrane protease serine 3	0.0101	0.1166	0.4454
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Trypanosoma cruzi	hypothetical protein, conserved	0.0132	0.1568	0.5
Loa Loa (eye worm)	hypothetical protein	0.0215	0.2617	0.3923
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Schistosoma mansoni	slit	0.0092	0.1061	0.1265
Schistosoma mansoni	laminin gamma-3 chain	0.0092	0.1061	0.1265
Brugia malayi	Trypsin-like protease protein 5	0.0101	0.1166	0.1749
Brugia malayi	EGF-like domain containing protein	0.0092	0.1061	0.1591
Onchocerca volvulus		0.0029	0.0254	0.0008
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Onchocerca volvulus		0.0029	0.0254	0.0008
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1166	0.1747
Echinococcus multilocularis	fibropellin Ia	0.0092	0.1061	0.106
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Toxoplasma gondii	kringle domain-containing protein	0.0132	0.1568	0.556
Brugia malayi	EGF-like domain containing protein	0.0092	0.1061	0.1591
Echinococcus granulosus	laminin	0.0215	0.2617	1
Brugia malayi	EGF-like domain containing protein	0.0092	0.1061	0.1591
Echinococcus granulosus	protein jagged 1	0.0092	0.1061	0.405
Onchocerca volvulus	Neurogenic locus notch homolog	0.0092	0.1061	0.1265
Echinococcus granulosus	delta-like protein 1	0.0092	0.1061	0.405
Loa Loa (eye worm)	PAN domain-containing protein	0.0029	0.0254	0.0379
Schistosoma mansoni	hypothetical protein	0.0092	0.1061	0.1265
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0215	0.2617	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0215	0.2617	0.3925
Loa Loa (eye worm)	PAN domain-containing protein	0.0029	0.0254	0.0379
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0535	0.6668	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0249	0.0371
Onchocerca volvulus		0.0029	0.0254	0.0008
Schistosoma mansoni	cpg binding protein	0.003	0.0269	0.0032
Schistosoma mansoni	cell polarity protein	0.0092	0.1061	0.1265
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0535	0.6668	1
Onchocerca volvulus		0.0101	0.1166	0.143
Brugia malayi	Trypsin family protein	0.0101	0.1166	0.1749
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0092	0.1061	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0535	0.6668	1
Onchocerca volvulus		0.0535	0.6668	1
Schistosoma mansoni	notch	0.0092	0.1061	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0215	0.2617	0.3923
Schistosoma mansoni	notch	0.0092	0.1061	0.1265
Schistosoma mansoni	hypothetical protein	0.0092	0.1061	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Brugia malayi	Kringle domain containing protein	0.0132	0.1568	0.2351
Echinococcus multilocularis	tissue type plasminogen activator	0.0132	0.1568	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0215	0.2617	0.3923
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Schistosoma mansoni	notch	0.0092	0.1061	0.1265
Echinococcus granulosus	neural cadherin	0.0092	0.1061	0.405
Echinococcus multilocularis	notch	0.0092	0.1061	0.106
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1568	0.2349
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1166	0.1747
Echinococcus multilocularis	neural cadherin	0.0092	0.1061	0.106
Brugia malayi	Cadherin domain containing protein	0.0092	0.1061	0.1591
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0215	0.2617	0.3923
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0215	0.2617	0.3925
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Echinococcus multilocularis	neurogenic locus notch protein	0.0092	0.1061	0.106
Brugia malayi	GCC2 and GCC3 family protein	0.0092	0.1061	0.1591
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0254	0.0379
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Onchocerca volvulus	Arrow homolog	0.0215	0.2617	0.3689
Schistosoma mansoni	egf-like domain protein	0.0215	0.2617	0.3689
Brugia malayi	Delta serrate ligand family protein	0.0092	0.1061	0.1591
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0101	0.1166	0.143
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0215	0.2617	0.3923
Schistosoma mansoni	notch	0.0092	0.1061	0.1265
Brugia malayi	EGF-like domain containing protein	0.0092	0.1061	0.1591
Echinococcus granulosus	enteropeptidase	0.0177	0.2136	0.816
Leishmania major	hypothetical protein, conserved	0.0132	0.1568	0.5
Loa Loa (eye worm)	PAN domain-containing protein	0.0029	0.0254	0.0379
Onchocerca volvulus		0.0092	0.1061	0.1265
Schistosoma mansoni	hypothetical protein	0.0101	0.1166	0.143
Loa Loa (eye worm)	PAN domain-containing protein	0.0029	0.0254	0.0379
Brugia malayi	Trypsin family protein	0.0101	0.1166	0.1749
Onchocerca volvulus		0.0101	0.1166	0.143
Loa Loa (eye worm)	notch protein	0.0092	0.1061	0.1589
Echinococcus granulosus	notch	0.0092	0.1061	0.405
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1166	0.1747
Echinococcus granulosus	tissue type plasminogen activator	0.0132	0.1568	0.5988
Brugia malayi	EGF-like domain containing protein	0.0092	0.1061	0.1591
Echinococcus multilocularis	neurogenic locus protein delta	0.0092	0.1061	0.106
Echinococcus granulosus	neurogenic locus notch protein	0.0092	0.1061	0.405
Brugia malayi	Calcium binding EGF domain containing protein	0.0092	0.1061	0.1591
Echinococcus granulosus	slit 2 protein	0.0092	0.1061	0.405
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0215	0.2617	0.3923
Loa Loa (eye worm)	PAN domain-containing protein	0.0029	0.0254	0.0379
Schistosoma mansoni	hypothetical protein	0.0101	0.1166	0.143
Onchocerca volvulus		0.0029	0.0254	0.0008
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.065	0.0625
Echinococcus granulosus	protein jagged 2	0.0092	0.1061	0.405
Echinococcus granulosus	Tolloid protein 1	0.0215	0.2617	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0101	0.1166	0.143
Schistosoma mansoni	hypothetical protein	0.0092	0.1061	0.1265
Echinococcus granulosus	protein jagged 1	0.0092	0.1061	0.405
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0254	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Echinococcus multilocularis	protein jagged 1	0.0092	0.1061	0.106
Brugia malayi	Trypsin family protein	0.0101	0.1166	0.1749
Echinococcus multilocularis	neurogenic locus protein delta	0.0092	0.1061	0.106
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0249	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0254	0.0379
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Onchocerca volvulus		0.0092	0.1061	0.1265
Schistosoma mansoni	septate junction protein	0.0092	0.1061	0.1265
Toxoplasma gondii	EGF family domain-containing protein	0.0092	0.1061	0.3415
Loa Loa (eye worm)	hypothetical protein	0.0215	0.2617	0.3923
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0215	0.2617	1
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Brugia malayi	Protein kinase domain containing protein	0.0132	0.1568	0.2351
Schistosoma mansoni	notch	0.0092	0.1061	0.1265
Schistosoma mansoni	hypothetical protein	0.0092	0.1061	0.1265
Echinococcus multilocularis	protein jagged 2	0.0092	0.1061	0.106
Onchocerca volvulus		0.0101	0.1166	0.143
Schistosoma mansoni	notch	0.0092	0.1061	0.1265
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1166	0.1747
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Schistosoma mansoni	hypothetical protein	0.0092	0.1061	0.1265
Brugia malayi	PAN domain containing protein	0.0029	0.0254	0.0381
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0101	0.1166	0.143
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0101	0.1166	0.1749
Loa Loa (eye worm)	TK/ROR protein kinase	0.0132	0.1568	0.2349
Brugia malayi	hypothetical protein	0.0101	0.1166	0.1749
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0254	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0092	0.1061	0.1591
Echinococcus granulosus	glycoprotein Antigen 5	0.0177	0.2136	0.816
Onchocerca volvulus		0.0029	0.0254	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0535	0.6668	1
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0101	0.1166	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Schistosoma mansoni	cercarial elastase (S01 family)	0.0101	0.1166	0.143
Onchocerca volvulus		0.0029	0.0254	0.0008
Schistosoma mansoni	hypothetical protein	0.0092	0.1061	0.1265
Loa Loa (eye worm)	trypsin family protein	0.0101	0.1166	0.1747
Echinococcus multilocularis	glycoprotein Antigen 5	0.0177	0.2136	0.2135
Echinococcus multilocularis	fibrillin 1	0.0215	0.2617	0.2616
Echinococcus multilocularis	slit 2 protein	0.0092	0.1061	0.106
Echinococcus granulosus	protein jagged 2	0.0092	0.1061	0.405
Onchocerca volvulus		0.0434	0.5392	0.8013
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0101	0.1166	0.4454
Brugia malayi	Muscle positioning protein 4	0.0092	0.1061	0.1591
Brugia malayi	Calcium binding EGF domain containing protein	0.0092	0.1061	0.1591
Brugia malayi	EGF-like domain containing protein	0.0092	0.1061	0.1591
Brugia malayi	Trypsin family protein	0.0535	0.6668	1
Schistosoma mansoni	hypothetical protein	0.0092	0.1061	0.1265
Echinococcus multilocularis	Tolloid protein 1	0.0215	0.2617	0.2616
Onchocerca volvulus	Putative cubilin	0.0092	0.1061	0.1265
Brugia malayi	Fibulin-1 precursor	0.0215	0.2617	0.3925
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1061	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0254	0.0379
Onchocerca volvulus		0.0092	0.1061	0.1265
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0569	0.1334
Echinococcus granulosus	neurogenic locus notch protein 4	0.0092	0.1061	0.405
Brugia malayi	notch-like transmembrane receptor	0.0092	0.1061	0.1591
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0101	0.1166	0.143

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 250 nM	Inhibitory concentration against Dipeptidyl-peptidase IV	ChEMBL.	15177477
logD	= 1.4	Octanolwater partition coefficient was deteremined at pH 7.4	ChEMBL.	15177477

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

PubChem: 10149409

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 209506